[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride

C7H13Cl2N3 — CID 66524168

IUPAC[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccncc1CN
InChIInChI=1S/C7H11N3.2ClH/c8-3-6-1-2-10-5-7(6)4-9;;/h1-2,5H,3-4,8-9H2;2*1H
InChIKeyALNDEEDIONIZKZ-UHFFFAOYSA-N
MW210.11 g/mol
LogP0.84
Rot. Bonds2

About [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride

[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride (PubChem CID 66524168) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
PubChem CID66524168
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccncc1CN
InChIInChI=1S/C7H11N3.2ClH/c8-3-6-1-2-10-5-7(6)4-9;;/h1-2,5H,3-4,8-9H2;2*1H
InChIKeyALNDEEDIONIZKZ-UHFFFAOYSA-N
XLogP0.84
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde
CID 174050696
(3-bromo-4-pyridinyl)methanamine;dihydrochloride
CID 119081459
4-(aminomethyl)pyridin-3-ol
CID 15850356
4-(aminomethyl)-N-methylpyridin-3-amine
CID 11182637
4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride
CID 11218619
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
4-(aminomethyl)pyridine-3-carboxamide
CID 123566615
2-[[3-(aminomethyl)-4-pyridinyl]methoxy]phenol
CID 105487920
(4-methylsulfonyl-3-pyridinyl)methanamine
CID 129011162
(4-cyclobutyl-3-pyridinyl)methanamine
CID 83914283
4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine;dihydrochloride
CID 45263151
N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline
CID 105484928

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride?
The IUPAC name of [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride (CID 66524168) is [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride is Cl.Cl.NCc1ccncc1CN.
What is the InChIKey of [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride?
The InChIKey is ALNDEEDIONIZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c8-3-6-1-2-10-5-7(6)4-9;;/h1-2,5H,3-4,8-9H2;2*1H.
What are the key properties of [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride?
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride is sourced from PubChem (CID 66524168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).